⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9883960 | 0.87 | — | — | |
| SCHEMBL7452799 | 0.85 | TSHR (0.58) | — | |
| SCHEMBL8464832 | 0.83 | TSHR (0.56) | — | |
| Hydrochloric Acid SCHEMBL7455001 | 0.83 | TSHR (0.56) | — | |
| SCHEMBL788769 | 0.83 | KMT2A (0.53) | — | |
| SCHEMBL24169230 | 0.82 | — | — | |
| SCHEMBL8468129 | 0.81 | TSHR (0.54) | — | |
| SCHEMBL11938132 | 0.80 | KMT2A (0.50) | — | |
| SCHEMBL11862251 | 0.78 | FAAH (0.45) | — | |
| SCHEMBL15147841 | 0.78 | KMT2A (0.41) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4306048-A | Method for preparing acrylamide polymers | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1981-12-15 | — | — | US | claimed |
| EP-2030968-B1 | Sulfur-containing compound, method of preparation and pharmaceutical uses thereof | NAT SUN YAT-SEN UNIV (TW) | 2017-02-22 | — | — | EP | disclosed |
| EP-2448946-A1 | 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS | Novartis AG (CH) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011000855-A1 | 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS | NOVARTIS AG (CH) | 2011-01-06 | — | — | WO | disclosed |
| EP-2194068-A1 | CYCLODEXTRIN COMPOUND MODIFIED WITH FOLIC ACID, PROCESS FOR PRODUCTION THEREOF, DRUG DELIVERY AGENT FOR TARGETING DRUG DELIVERY SYSTEM, PHARMACEUTICAL COMPOSITION, AND IMAGING AGENT | Nanodex INC. (JP) | 2010-06-09 | — | — | EP | disclosed |
| US-4306048-A | Method for preparing acrylamide polymers | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1981-12-15 | — | — | US | disclosed |